chempirical

Isosorbide

C6H10O4CAS 652-67-5146.14 g/mol

Open in Covalent MOL file
HOOOOH
AlcoholEther

Properties

Molecular formula
C6H10O4
Molar mass
146.14 g/mol
Exact mass
146.0579 Da
Density
1.3777 g/mL (at 25 °C)
Melting point
61–64 °C
Boiling point
160–165 °C (at 10 Torr)
logP
-1.49Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
652-67-5
SMILES
O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
InChIKey
KLDXJTOLSGUMSJ-JGWLITMVSA-N
InChI
InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

24 names · show all
  • D-Glucitol, 1,4:3,6-dianhydro-
  • Glucitol, 1,4:3,6-dianhydro-, D-
  • Sorbitol, 1,4:3,6-dianhydro-
  • 1,4:3,6-Dianhydro-D-glucitol
  • Furo[3,2-b]furan, D-glucitol deriv.
  • AT 101
  • Hydronol
  • 1,4:3,6-Dianhydro-D-sorbitol
  • (+)-D-Isosorbide
  • 1,4:3,6-Dianhydrosorbitol
  • Isobide
  • Devicoran
  • NSC 40725
  • Ismotic
  • Polysorb P
  • Polysorb PS
  • Addolink 0312
  • Polysorb B
  • Polysorb PB
  • Isosorbitol
  • Polysorb
  • Polysorb PBA
  • Novosorb P
  • Novasorb

Work with Isosorbide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isomannide641-74-7100 % similar Isosorbide mononitrate16051-77-748 % similar Erythritan4358-64-944 % similar D-Arabinopyranose28697-53-243 % similar α-D-Xylopyranose31178-70-843 % similar α-D-Xylopyranose6763-34-443 % similar β-L-Arabinopyranose7296-56-243 % similar L-Arabinopyranose87-72-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dimethyl succinate106-65-0 Monoethyl succinate1070-34-4 Glycol diacetate111-55-7 Adipic acid124-04-9 Glucal13265-84-4 Monomethyl glutarate1501-27-5 2-Methylglutaric acid18069-17-5 D-Galactal21193-75-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia